tert-butyl N-(furan-2-ylmethyl)-N-(7-methylthieno[3,2-d]triazin-4-yl)carbamate

C16H18N4O3S — CID 177117883

IUPACtert-butyl N-(furan-2-ylmethyl)-N-(7-methylthieno[3,2-d]triazin-4-yl)carbamate
SMILESCc1csc2c(N(Cc3ccco3)C(=O)OC(C)(C)C)nnnc12
InChIInChI=1S/C16H18N4O3S/c1-10-9-24-13-12(10)17-19-18-14(13)20(8-11-6-5-7-22-11)15(21)23-16(2,3)4/h5-7,9H,8H2,1-4H3
InChIKeyNIZVDFBTZBWXAD-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.93
Rot. Bonds3

About tert-butyl N-(furan-2-ylmethyl)-N-(7-methylthieno[3,2-d]triazin-4-yl)carbamate

tert-butyl N-(furan-2-ylmethyl)-N-(7-methylthieno[3,2-d]triazin-4-yl)carbamate (PubChem CID 177117883) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is tert-butyl N-(furan-2-ylmethyl)-N-(7-methylthieno[3,2-d]triazin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(furan-2-ylmethyl)-N-(7-methylthieno[3,2-d]triazin-4-yl)carbamate
PubChem CID177117883
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Nametert-butyl N-(furan-2-ylmethyl)-N-(7-methylthieno[3,2-d]triazin-4-yl)carbamate
SMILESCc1csc2c(N(Cc3ccco3)C(=O)OC(C)(C)C)nnnc12
InChIInChI=1S/C16H18N4O3S/c1-10-9-24-13-12(10)17-19-18-14(13)20(8-11-6-5-7-22-11)15(21)23-16(2,3)4/h5-7,9H,8H2,1-4H3
InChIKeyNIZVDFBTZBWXAD-UHFFFAOYSA-N
XLogP3.93
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(furan-2-ylmethyl)-N-(7-methylthieno[3,2-d]triazin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(furan-2-ylmethyl)-N-(7-methylthieno[3,2-d]triazin-4-yl)carbamate (CID 177117883) is tert-butyl N-(furan-2-ylmethyl)-N-(7-methylthieno[3,2-d]triazin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(furan-2-ylmethyl)-N-(7-methylthieno[3,2-d]triazin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(furan-2-ylmethyl)-N-(7-methylthieno[3,2-d]triazin-4-yl)carbamate is Cc1csc2c(N(Cc3ccco3)C(=O)OC(C)(C)C)nnnc12.
What is the InChIKey of tert-butyl N-(furan-2-ylmethyl)-N-(7-methylthieno[3,2-d]triazin-4-yl)carbamate?
The InChIKey is NIZVDFBTZBWXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-10-9-24-13-12(10)17-19-18-14(13)20(8-11-6-5-7-22-11)15(21)23-16(2,3)4/h5-7,9H,8H2,1-4H3.
What are the key properties of tert-butyl N-(furan-2-ylmethyl)-N-(7-methylthieno[3,2-d]triazin-4-yl)carbamate?
tert-butyl N-(furan-2-ylmethyl)-N-(7-methylthieno[3,2-d]triazin-4-yl)carbamate has a molecular weight of 346.41 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(furan-2-ylmethyl)-N-(7-methylthieno[3,2-d]triazin-4-yl)carbamate is sourced from PubChem (CID 177117883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).